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Updated: Jul 23, 2025

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
Classical statistical mechanics in the μVL and μpR ensembles
Philipp Ströker1, Karsten Meier1
1Institut für Thermodynamik, Helmut-Schmidt-Universität/Universität der Bundeswehr Hamburg, Holstenhofweg 85, 22043 Hamburg, Germany.
Abstract:
Molecular expressions for thermodynamic properties and derivatives of the entropy up to third order in the adiabatic grand-isochoric μVL and adiabatic grand-isobaric μpR ensembles are systematically derived using the methodology developed by Lustig for the microcanonical and canonical ensembles [J. Chem. Phys. 100, 3048 (1994)10.1063/1.466446; Mol. Phys. 110, 3041 (2012)10.1080/00268976.2012.695032]. They are expressed by phase-space functions, which represent derivatives of the entropy with respect to the chemical potential, the volume, and the Hill energy L in the μVL ensemble and with respect to the chemical potential, the pressure, and the Ray energy R in the μpR ensemble. The derived expressions are validated for both ensembles by Monte Carlo simulations for the simple Lennard-Jones model fluid at three selected state points.
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